5-((3-BROMO-4,5-DIMETHOXYPHENYL)METHYL)-2,4-PYRIMIDINEDIAMINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H15BrN4O2
Molecular Weight	339.188
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-((3-BROMO-4,5-DIMETHOXYPHENYL)METHYL)-2,4-PYRIMIDINEDIAMINE

Structure Search

SMILES

COC1=C(OC)C(Br)=CC(CC2=CN=C(N)N=C2N)=C1

InChI

InChIKey=XJSNBPJINGRLAM-UHFFFAOYSA-N

InChI=1S/C13H15BrN4O2/c1-19-10-5-7(4-9(14)11(10)20-2)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula	C13H15BrN4O2
Molecular Weight	339.188
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:53:49 UTC 2023` Edited by `admin` on `Sat Dec 16 07:53:49 UTC 2023`
Record UNII	VS20D6Q9V2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-((3-BROMO-4,5-DIMETHOXYPHENYL)METHYL)-2,4-PYRIMIDINEDIAMINE

Systematic Name

English

TRIMETHOPRIM IMPURITY F [EP IMPURITY]

Common Name

English

2,4-PYRIMIDINEDIAMINE, 5-((3-BROMO-4,5-DIMETHOXYPHENYL)METHYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

VS20D6Q9V2

Created by admin on Sat Dec 16 07:53:49 UTC 2023 , Edited by admin on Sat Dec 16 07:53:49 UTC 2023

PRIMARY

EPA CompTox

DTXSID70388342

Created by admin on Sat Dec 16 07:53:49 UTC 2023 , Edited by admin on Sat Dec 16 07:53:49 UTC 2023

PRIMARY

CAS

16285-82-8

Created by admin on Sat Dec 16 07:53:49 UTC 2023 , Edited by admin on Sat Dec 16 07:53:49 UTC 2023

PRIMARY

PUBCHEM

3008014

Created by admin on Sat Dec 16 07:53:49 UTC 2023 , Edited by admin on Sat Dec 16 07:53:49 UTC 2023

PRIMARY

Related Record Type Details


					AN164J8Y0X

TRIMETHOPRIM

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: